2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate

C9H13NO2S — CID 54324314

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1sc(C)nc1C
InChIInChI=1S/C9H13NO2S/c1-6-9(13-7(2)10-6)4-5-12-8(3)11/h4-5H2,1-3H3
InChIKeySTVGVCNRIGXKJR-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.87
Rot. Bonds3

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate

2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate (PubChem CID 54324314) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate
PubChem CID54324314
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate
SMILESCC(=O)OCCc1sc(C)nc1C
InChIInChI=1S/C9H13NO2S/c1-6-9(13-7(2)10-6)4-5-12-8(3)11/h4-5H2,1-3H3
InChIKeySTVGVCNRIGXKJR-UHFFFAOYSA-N
XLogP1.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate (CID 54324314) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate is CC(=O)OCCc1sc(C)nc1C.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate?
The InChIKey is STVGVCNRIGXKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-9(13-7(2)10-6)4-5-12-8(3)11/h4-5H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate?
2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate has a molecular weight of 199.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl acetate is sourced from PubChem (CID 54324314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).